TITL S164 IN P2(1)/N CELL 0.71073 6.9196 14.5749 9.7248 90.0 90.637 90.0 ZERR 4 0.0001 0.0002 0.0001 0.0 0.001 0.0 LATT 1 SYMM 0.500-X,0.500+Y,0.500-Z SFAC C H N F UNIT 40 40 16 8 SIZE 0.36 0.18 0.10